n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide
TL;DR: n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide (CAS 4310-42-3) is a chemical compound with molecular formula C7H12N4O4S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-3,5-dioxo-2H-1,2,4-triazine-6-sulfonamide
Also Known As: NCIStruc1_000659, NCIStruc2_000683, 6-Azauracil-5-(n-butyl)sulfonamid, NCI60_000185, N-butyl-3,5-dioxo-2H-1,2,4-triazine-6-sulfonamide
| Molecular Formula | C7H12N4O4S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.05792 |
| Heavy Atoms | 16 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 4310-42-3 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=NNC(=O)NC1=O |
| InChIKey | PTKRCUQNJRECDH-UHFFFAOYSA-N |
Product Overview
n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide (CAS 4310-42-3), with molecular formula C7H12N4O4S and molecular weight 248.06 g/mol. IUPAC: N-butyl-3,5-dioxo-2H-1,2,4-triazine-6-sulfonamide.
Chemical Property Profile of n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide
Property Insights of n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide. Following Lipinski's Rule of Five, n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide?
The CAS number of n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide is 4310-42-3.
What is the molecular formula of n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide?
The molecular formula of n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide is C7H12N4O4S.
What is the molecular weight of n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide?
The molecular weight of n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide is 248.06 g/mol.
Where can I buy n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide?
You can request a quote for n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.